6031-0226 Screening compound: 2-methoxy-4-{9-oxo-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-8-yl}phenyl acetate

6031-0226 Screening compound: 2-methoxy-4-{9-oxo-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-8-yl}phenyl acetate
6031-0226 Screening compound: 2-methoxy-4-{9-oxo-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-8-yl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6031-0226
2-methoxy-4-{9-oxo-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-8-yl}phenyl acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

6031-0226

Molecular Formula

C25H22N2O4 (C25 H22 N2 O4)

Compound Name

2-methoxy-4-{9-oxo-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-8-yl}phenyl acetate

IUPAC name

2-methoxy-4-{9-oxo-7H8H9H10H11H12H-cyclohexa[a]47-phenanthrolin-8-yl}phenyl acetate

SMILES

CC(Oc(ccc(C(C1=C2CCCC1=O)Nc1c2c2cccnc2cc1)c1)c1OC)=O

InChI

InChI=1S/C25H22N2O4/c1-14(28)31-21-11-8-15(13-22(21)30-2)25-24-17(5-3-7-20(24)29)23-16-6-4-12-26-18(16)9-10-19(23)27-25/h4,6,8-13,25,27H,3,5,7H2,1-2H3/t25-/m0/s1

InChI Key

FUKFTDNLTDZTJV-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14711147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.793

Distribution Coefficient, logD

3.793

Water Solubility, LogSw

-4.44

Polar Surface Area

62.434

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

6031-0226 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6031-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6031-0226?
Check Price and Availability of 6031-0226, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6031-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6031-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6031-0226
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 6031-0226 available by request